Geometry & MOs

Info

ID:	243636
PubChem CID:	99233559
Reduced:	NO2C12H19 (2)
Stoich.:	AB2C12D19 (2)
Weight, g/mol:	445.261043
ΔH_f, kcal/mol:	-215.0
Dipole, Da:	3.87
IP(EA), eV:	-9.09(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-(1-butylsulfonylpiperidine-4-carbonyl)piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@@H](C1)CNC(=O)OC(C)(C)C)OC2=CC=CC(=C2)C(C)(C)C

DOS

IR

Vibrations